SCHEMBL1371541

SCHEMBL1371541

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCN(C)CC3)cc1[N+](=O)[O-])CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.38
SIRT6 Q8N6T7 5/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PDE6D O43924 2/20 0.34
NTRK1 P04629 3/20 0.34
NTRK3 Q16288 3/20 0.34
NTRK2 Q16620 2/20 0.34
HTR6 P50406 1/20 0.34
WDR5 P61964 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLK4 O00444 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKCG P05129 1/20 0.33
ROS1 P08922 1/20 0.33
FER P16591 1/20 0.33
LTK P29376 1/20 0.33
WEE1 P30291 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1372416 0.93 ALDH1A1 (0.36) MAPTLMNAPDE6DNTRK1NTRK3
SCHEMBL4279723 0.91 IGF1R (0.40) IGF1RNTRK1NTRK3NTRK2WDR5
SCHEMBL4787339 0.90 IGF1R (0.40) IGF1RNTRK1NTRK3NTRK2WDR5
SCHEMBL1370894 0.90 MAPT (0.38) IGF1RMAPTLMNAPOLBL3MBTL1
SCHEMBL1893236 0.90 IGF1R (0.41) IGF1RSIRT6MAPTLMNAPOLB
SCHEMBL1372986 0.89 ALK (0.43) IGF1RNTRK1NTRK3NTRK2PLK4
Hydrochloric Acid SCHEMBL1372982 0.89 ALK (0.42) IGF1RNTRK1NTRK3NTRK2PLK4
Hydrochloric Acid SCHEMBL4278059 0.89 ALK (0.42) IGF1RNTRK1NTRK3NTRK2PLK4
SCHEMBL1372170 0.87 KDM4E (0.39) MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL1373849 0.87 ALDH1A1 (0.40) MAPTLMNAPOLBL3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 US disclosed
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.I. (IT) 2011-11-24 US disclosed
US-7968583-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-28 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 IGF1R 530/4885SIRT6 2677/4885MAPT 2911/4885
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 IGF1R 737/4885SIRT6 2172/4885MAPT 2209/4885
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 IGF1R 737/4885SIRT6 2172/4885MAPT 2209/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.